compound 33 [PMID: 19908842]

Ligand id: 8874

Name: compound 33 [PMID: 19908842]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 79.42
Molecular weight 336.07
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
kallikrein related peptidase 4 Inhibitor Inhibition 5.0 pIC50 - 1
pIC50 5.0 (IC50 9.772x10-6 M) [1]